tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C32H35Cl2N3O6 — CID 59665319

IUPACtert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(=O)[C@H](Cc1ccc(OCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C32H35Cl2N3O6/c1-32(2,3)43-31(40)37-17-6-7-21-12-13-22(35-28(21)37)16-18-42-23-14-10-20(11-15-23)19-26(30(39)41-4)36-29(38)27-24(33)8-5-9-25(27)34/h5,8-15,26H,6-7,16-19H2,1-4H3,(H,36,38)/t26-/m0/s1
InChIKeyDWBHWHRHBJFYCD-SANMLTNESA-N
MW628.55 g/mol
LogP6.21
Rot. Bonds9

About tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 59665319) has the molecular formula C32H35Cl2N3O6 and a molecular weight of 628.55 g/mol. Its IUPAC name is tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID59665319
Molecular FormulaC32H35Cl2N3O6
Molecular Weight628.55 g/mol
Exact Mass627.19
IUPAC Nametert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(=O)[C@H](Cc1ccc(OCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C32H35Cl2N3O6/c1-32(2,3)43-31(40)37-17-6-7-21-12-13-22(35-28(21)37)16-18-42-23-14-10-20(11-15-23)19-26(30(39)41-4)36-29(38)27-24(33)8-5-9-25(27)34/h5,8-15,26H,6-7,16-19H2,1-4H3,(H,36,38)/t26-/m0/s1
InChIKeyDWBHWHRHBJFYCD-SANMLTNESA-N
XLogP6.21
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.55
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 59665319) is tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is COC(=O)[C@H](Cc1ccc(OCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is DWBHWHRHBJFYCD-SANMLTNESA-N. The full InChI is InChI=1S/C32H35Cl2N3O6/c1-32(2,3)43-31(40)37-17-6-7-21-12-13-22(35-28(21)37)16-18-42-23-14-10-20(11-15-23)19-26(30(39)41-4)36-29(38)27-24(33)8-5-9-25(27)34/h5,8-15,26H,6-7,16-19H2,1-4H3,(H,36,38)/t26-/m0/s1.
What are the key properties of tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 628.55 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 59665319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).